@MOLECULE (3e,9r,11e,12as,13s,15s,15as,16s,18as)-16-benzyl-13-hydroxy-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2h-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione 70 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.0436 -0.4968 0.2497 C.3 1 UNL1 0.1812 2 C 1.2302 -0.3830 1.2385 C.3 1 UNL1 -0.2029 3 C -0.5220 -1.9254 0.1425 C.3 1 UNL1 -0.1985 4 C 2.4807 -0.0657 0.3558 C.3 1 UNL1 0.1015 5 C 1.4189 -1.6585 2.0800 C.3 1 UNL1 -0.1015 6 C 0.6626 -2.9065 -0.0114 C.3 1 UNL1 0.1334 7 C -4.3530 -0.7931 -2.0408 C.3 1 UNL1 -0.0615 8 C 4.4074 2.4219 -0.9926 C.ar 1 UNL1 -0.1810 9 C 5.5779 0.7111 0.2501 C.ar 1 UNL1 -0.1797 10 C 5.5435 2.6307 -1.7713 C.ar 1 UNL1 -0.1313 11 C 6.7119 0.9230 -0.5298 C.ar 1 UNL1 -0.1344 12 C 6.6961 1.8817 -1.5419 C.ar 1 UNL1 -0.1617 13 C 3.1944 1.2127 0.8384 C.3 1 UNL1 -0.3439 14 C 2.5818 -1.4708 3.0592 C.3 1 UNL1 -0.4451 15 C -3.3481 0.1260 -2.7370 C.3 1 UNL1 -0.4614 16 H -0.3757 -4.5118 0.5156 H 1 UNL1 0.3107 17 H 2.5401 0.5373 -1.7151 H 1 UNL1 0.3319 18 C 4.4212 1.4595 0.0189 C.ar 1 UNL1 0.0140 19 O -0.0431 0.3074 -2.0857 O.2 1 UNL1 -0.4991 20 O 0.0607 2.2107 0.4816 O.2 1 UNL1 -0.4863 21 O -4.8780 3.2675 2.1067 O.2 1 UNL1 -0.4260 22 C -3.7727 -2.2298 -1.9292 C.3 1 UNL1 -0.2972 23 C -4.7108 -0.2755 -0.6338 C.3 1 UNL1 -0.2940 24 C -5.7947 1.5501 0.7529 C.3 1 UNL1 -0.3807 25 C -5.4165 1.0839 -0.6578 C.3 1 UNL1 -0.2536 26 O 0.1856 -4.2117 -0.2270 O.3 1 UNL1 -0.5264 27 C 0.5916 0.0376 -1.0962 C.2 1 UNL1 0.5432 28 C 1.5693 -2.8665 1.1990 C.2 1 UNL1 -0.0648 29 C -0.9874 1.6358 0.6157 C.2 1 UNL1 0.6145 30 C -4.6781 2.2598 1.4757 C.2 1 UNL1 0.4580 31 O -1.0745 0.2737 0.6590 O.3 1 UNL1 -0.4286 32 C -1.4715 -2.0351 -1.0068 C.2 1 UNL1 -0.1558 33 C -2.7682 -2.2999 -0.8244 C.2 1 UNL1 -0.1404 34 C -2.3276 2.2301 0.7433 C.2 1 UNL1 -0.2184 35 C -3.3205 1.6523 1.4193 C.2 1 UNL1 -0.1585 36 N 1.9645 0.1041 -1.0133 N.am 1 UNL1 -0.5953 37 C 2.4049 -3.8797 1.4250 C.2 1 UNL1 -0.3136 38 H 1.0359 0.4705 1.9313 H 1 UNL1 0.1764 39 H -1.0612 -2.1539 1.0988 H 1 UNL1 0.1614 40 H 3.1962 -0.9288 0.3536 H 1 UNL1 0.1563 41 H 0.4848 -1.8051 2.6916 H 1 UNL1 0.1509 42 H 1.2363 -2.7088 -0.9524 H 1 UNL1 0.1721 43 H -1.0496 -1.8457 -1.9948 H 1 UNL1 0.1747 44 H 2.4922 2.0767 0.7848 H 1 UNL1 0.1866 45 H 3.4515 1.1165 1.9122 H 1 UNL1 0.1607 46 H 2.4791 -0.5391 3.6278 H 1 UNL1 0.1478 47 H 2.6228 -2.2881 3.7885 H 1 UNL1 0.1470 48 H 3.5499 -1.4427 2.5456 H 1 UNL1 0.1527 49 H 3.0821 -3.9428 2.2596 H 1 UNL1 0.1446 50 H 2.4675 -4.7404 0.7702 H 1 UNL1 0.1619 51 H -3.1809 -2.5304 0.1551 H 1 UNL1 0.1326 52 H -2.4322 3.1870 0.2194 H 1 UNL1 0.1958 53 H -4.5937 -2.9507 -1.7567 H 1 UNL1 0.1342 54 H -3.3233 -2.5199 -2.8998 H 1 UNL1 0.1531 55 H 3.5099 3.0137 -1.1706 H 1 UNL1 0.1613 56 H 5.5935 -0.0376 1.0383 H 1 UNL1 0.1483 57 H -3.2110 0.7123 1.9656 H 1 UNL1 0.1802 58 H -5.2820 -0.8424 -2.6558 H 1 UNL1 0.1219 59 H 5.5303 3.3814 -2.5601 H 1 UNL1 0.1520 60 H 7.6122 0.3391 -0.3490 H 1 UNL1 0.1469 61 H 7.5825 2.0452 -2.1506 H 1 UNL1 0.1497 62 H -5.3488 -1.0214 -0.1247 H 1 UNL1 0.1309 63 H -3.7794 -0.2032 -0.0363 H 1 UNL1 0.1553 64 H -6.6741 2.2299 0.6980 H 1 UNL1 0.1740 65 H -6.1374 0.6929 1.3688 H 1 UNL1 0.1699 66 H -3.0774 -0.2500 -3.7293 H 1 UNL1 0.1453 67 H -3.7368 1.1394 -2.8662 H 1 UNL1 0.1378 68 H -2.4086 0.2032 -2.1662 H 1 UNL1 0.1783 69 H -4.7754 1.8399 -1.1526 H 1 UNL1 0.1506 70 H -6.3285 1.0187 -1.2828 H 1 UNL1 0.1419 @BOND 1 66 15 1 2 54 22 1 3 67 15 1 4 15 68 1 5 15 7 1 6 58 7 1 7 59 10 1 8 61 12 1 9 19 27 2 10 7 22 1 11 7 23 1 12 43 32 1 13 22 53 1 14 22 33 1 15 10 12 ar 16 10 8 ar 17 17 36 1 18 12 11 ar 19 70 25 1 20 55 8 1 21 69 25 1 22 27 36 am 23 27 1 1 24 36 4 1 25 32 33 2 26 32 3 1 27 8 18 ar 28 42 6 1 29 33 51 1 30 25 23 1 31 25 24 1 32 23 62 1 33 23 63 1 34 11 60 1 35 11 9 ar 36 26 6 1 37 26 16 1 38 6 3 1 39 6 28 1 40 18 9 ar 41 18 13 1 42 3 1 1 43 3 39 1 44 52 34 1 45 1 31 1 46 1 2 1 47 9 56 1 48 40 4 1 49 4 13 1 50 4 2 1 51 20 29 2 52 29 31 1 53 29 34 1 54 64 24 1 55 34 35 2 56 24 65 1 57 24 30 1 58 50 37 1 59 44 13 1 60 13 45 1 61 28 37 2 62 28 5 1 63 2 38 1 64 2 5 1 65 35 30 1 66 35 57 1 67 37 49 1 68 30 21 2 69 5 41 1 70 5 14 1 71 48 14 1 72 14 46 1 73 14 47 1